SCHEMBL19783108

SCHEMBL19783108

CCOC(=O)c1sc(Nc2ncccn2)nc1-c1cc(C(F)(F)F)ccn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.56
SYK P43405 1/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
P2RY1 P47900 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19782880 0.93 DHODH (0.48) DHODHSYKMEN1MAPTKMT2A
SCHEMBL15993448 0.87 DHODH (0.53) DHODHMEN1MAPTKMT2AKDM4E
SCHEMBL29078713 0.86 DHODH (0.56) DHODHMEN1MAPTKMT2AP2RY1
SCHEMBL15993345 0.84 DHODH (0.58) DHODHMEN1MAPTKMT2ACYP1A2
SCHEMBL15993447 0.80 DHODH (0.54) DHODHMEN1MAPTKMT2AKDM4E
SCHEMBL21245761 0.80 CDC7 (0.56) DHODHMEN1MAPTKMT2AKDM4E
SCHEMBL15993418 0.79 DHODH (0.53) DHODHMEN1MAPTKMT2AALDH1A1
SCHEMBL19783106 0.79 DHODH (0.53) DHODHMEN1MAPTKMT2AKDM4E
SCHEMBL19782992 0.77 DHODH (0.56) DHODHMEN1MAPTKMT2AKDM4E
SCHEMBL18230366 0.76 DHODH (0.58) DHODHMEN1MAPTKMT2AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913734-B2 Substituted aminothiazoles BARUCH S. BLUMBERG INSTITUTE 2021-02-09 US disclosed
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE 2019-08-08 US disclosed
WO-2018013508-A1 SUBSTITUTED AMINOTHIAZOLES BARUCH S. BLUMBERG INSTITUTE (US) 2018-01-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10913734-B2 Substituted aminothiazoles ABAT, AADAT, BCAT1 DHODH 329/4885SYK 1433/4885MEN1 2492/4885
US-20190241552-A1 SUBSTITUTED AMINOTHIAZOLES ABAT, AADAT, BCAT1 DHODH 329/4885SYK 1433/4885MEN1 2492/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.